6-ethyl-N-[3-[ethyl-(3-methylphenyl)amino]propyl]-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethyl-N-[3-[ethyl-(3-methylphenyl)amino]propyl]-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-[3-(N-ethyl-3-methyl-anilino)propyl]-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-[3-(N-ethyl-3-methylanilino)propyl]-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-[3-(N-ethyl-3-methylanilino)propyl]-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-[3-(N-ethyl-3-methyl-anilino)propyl]-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H33N3OS MolecularWeight: 471.65682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN(CC)C3=CC=CC(=C3)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN(CC)C3=CC=CC(=C3)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C29H33N3OS/c1-5-25-24-18-21(4)11-13-27(24)34-28-14-12-22(19-26(28)31-25)29(33)30-15-8-16-32(6-2)23-10-7-9-20(3)17-23/h7,9-14,17-19H,5-6,8,15-16H2,1-4H3,(H,30,33)